Pm5Cu2Si5
Alexandria ALEXAlex-ID: agm003373501 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_79_spg12
PmCuSi PmSi
2022-02-09 14:46:00.133194
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003373501).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm003373501
data_agm003373501
_cell_length_a 4.20238
_cell_length_b 5.76018
_cell_length_c 14.35724
_cell_angle_alpha 121.80324
_cell_angle_beta 90.00000
_cell_angle_gamma 111.39397
_cell_volume 266.76898
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pm1 Pm 0.50000 0.00000 0.50000 1.00000
Pm2 Pm 0.72780 0.45560 0.07054 1.00000
Pm3 Pm 0.62289 0.24577 0.27542 1.00000
Pm4 Pm 0.37711 0.75423 0.72458 1.00000
Pm5 Pm 0.27220 0.54440 0.92946 1.00000
Cu1 Cu 0.06774 0.13548 0.68547 1.00000
Cu2 Cu 0.93226 0.86452 0.31453 1.00000
Si1 Si 0.18339 0.36678 0.46208 1.00000
Si2 Si 0.69360 0.38721 0.76318 1.00000
Si3 Si 0.30640 0.61279 0.23682 1.00000
Si4 Si 0.81661 0.63322 0.53792 1.00000
Si5 Si 0.00000 0.00000 0.00000 1.00000
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